4-(4-fluorophenoxy)benzenesulfonyl chloride

C12H8ClFO3S — CID 2782757

IUPAC4-(4-fluorophenoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(Oc2ccc(F)cc2)cc1
InChIInChI=1S/C12H8ClFO3S/c13-18(15,16)12-7-5-11(6-8-12)17-10-3-1-9(14)2-4-10/h1-8H
InChIKeyPDAYRCHIAPCRRD-UHFFFAOYSA-N
MW286.71 g/mol
LogP3.55
Rot. Bonds3

About 4-(4-fluorophenoxy)benzenesulfonyl chloride

4-(4-fluorophenoxy)benzenesulfonyl chloride (PubChem CID 2782757) has the molecular formula C12H8ClFO3S and a molecular weight of 286.71 g/mol. Its IUPAC name is 4-(4-fluorophenoxy)benzenesulfonyl chloride.

Molecular Properties

Compound Name4-(4-fluorophenoxy)benzenesulfonyl chloride
PubChem CID2782757
Molecular FormulaC12H8ClFO3S
Molecular Weight286.71 g/mol
Exact Mass285.99
IUPAC Name4-(4-fluorophenoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(Oc2ccc(F)cc2)cc1
InChIInChI=1S/C12H8ClFO3S/c13-18(15,16)12-7-5-11(6-8-12)17-10-3-1-9(14)2-4-10/h1-8H
InChIKeyPDAYRCHIAPCRRD-UHFFFAOYSA-N
XLogP3.55
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.71
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenoxy)benzenesulfonyl chloride?
The IUPAC name of 4-(4-fluorophenoxy)benzenesulfonyl chloride (CID 2782757) is 4-(4-fluorophenoxy)benzenesulfonyl chloride.
What is the SMILES notation for 4-(4-fluorophenoxy)benzenesulfonyl chloride?
The canonical SMILES for 4-(4-fluorophenoxy)benzenesulfonyl chloride is O=S(=O)(Cl)c1ccc(Oc2ccc(F)cc2)cc1.
What is the InChIKey of 4-(4-fluorophenoxy)benzenesulfonyl chloride?
The InChIKey is PDAYRCHIAPCRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFO3S/c13-18(15,16)12-7-5-11(6-8-12)17-10-3-1-9(14)2-4-10/h1-8H.
What are the key properties of 4-(4-fluorophenoxy)benzenesulfonyl chloride?
4-(4-fluorophenoxy)benzenesulfonyl chloride has a molecular weight of 286.71 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenoxy)benzenesulfonyl chloride is sourced from PubChem (CID 2782757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).